Information card for entry 1520164

Structure parameters

• Chemical name: DL-tartaric acid & 1,1,3,3-tetramethylbutylamine
• Formula: C20 H48 N2 O8
• Calculated formula: C20 H48 N2 O8
• SMILES: O[C@H](C(=O)[O-])[C@H](O)C(=O)[O-].O.O.[NH3+]C(CC(C)(C)C)(C)C.[NH3+]C(CC(C)(C)C)(C)C.O[C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-].O.O.[NH3+]C(CC(C)(C)C)(C)C.[NH3+]C(CC(C)(C)C)(C)C
• Title of publication: Di-1,1,3,3-tetramethylbutylammonium DL-tartrate dihydrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 503
• a: 8.3059 ± 0.0004 Å
• b: 10.8568 ± 0.0008 Å
• c: 15.6687 ± 0.0011 Å
• α: 71.627 ± 0.003°
• β: 77.606 ± 0.004°
• γ: 81.799 ± 0.004°
• Cell volume: 1305.36 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2055
• Residual factor for significantly intense reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.2302
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No